Geometry & MOs

Info

ID:	167644
PubChem CID:	74851684
Reduced:	NO4H13C16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	279.052941
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	9.65
IP(EA), eV:	-9.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations